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root/OpenMD/trunk/samples/minimizer/tip4p_two.md
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Comparing trunk/samples/minimizer/tip4p_two.md (file contents):
Revision 1028 by chrisfen, Thu Aug 31 20:12:12 2006 UTC vs.
Revision 1461 by gezelter, Wed Jul 7 15:54:25 2010 UTC

# Line 1 | Line 1
1 < <OOPSE version=4>
1 > <OpenMD version=1>
2    <MetaData>
3   #include "water.md"
4  
# Line 11 | Line 11 | minimizerMaxIter = 5000;
11  
12   minimizer = CG;
13   minimizerMaxIter = 5000;
14 < minimizerWriteFrq = 1;
15 < minimizerStepSize = 0.0001;
14 > minimizerWriteFreq = 10;
15 > minimizerStepSize = 0.05;
16  
17   forceField = "DUFF";
18   electrostaticSummationMethod = "none";
# Line 31 | Line 31 | switchingRadius = 9.0;
31           1    pvqj            -2.2274             -2.572                  0 -0.000000e+00 -0.000000e+00  0.000000e+00  3.998900e-01  7.681700e-01 -4.435100e-01 -2.308700e-01 -4.500000e-05 -7.000000e-06 -7.000000e-06
32      </StuntDoubles>
33    </Snapshot>
34 < </OOPSE>
34 > </OpenMD>

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